Crystallography Open Database

Information card for entry 7111544

Preview

Coordinates	7111544.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H32 Cl4 F6 N2 O12 Pd2
Calculated formula	C42 H32 Cl4 F6 N2 O12 Pd2
Title of publication	Unexpected [2 + 2] C‒C bond coupling due to photocycloaddition on orthopalladated (Z)-2-aryl-4-arylidene-5(4H)-oxazolones
Authors of publication	Roiban, Doru; Serrano, Elena; Soler, Tatiana; Grosu, Ion; Cativiela, Carlos; Urriolabeitia, Esteban P.
Journal of publication	Chemical Communications
Year of publication	2009
Journal issue	31
Pages of publication	4681 - 4683
a	14.74 ± 0.0003 Å
b	16.7687 ± 0.0003 Å
c	19.4056 ± 0.0004 Å
α	88.7425 ± 0.0017°
β	74.758 ± 0.002°
γ	80.4262 ± 0.0018°
Cell volume	4562.12 ± 0.16 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0705
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for significantly intense reflections	0.1394
Weighted residual factors for all reflections included in the refinement	0.1447
Goodness-of-fit parameter for all reflections included in the refinement	1.116
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180229 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/15.	7111544.cif
96648	2014-01-29	cif/ Adding structures of 7111544 via cif-deposit CGI script.	7111544.cif